6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine

C18H16N8 — CID 117078892

IUPAC6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NC4CC4)nc(Nc4ncccn4)nc32)cc1
InChIInChI=1S/C18H16N8/c1-2-5-13(6-3-1)26-11-21-14-15(22-12-7-8-12)23-18(24-16(14)26)25-17-19-9-4-10-20-17/h1-6,9-12H,7-8H2,(H2,19,20,22,23,24,25)
InChIKeyRGPFBGNFHWXWHI-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.92
Rot. Bonds5

About 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine

6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 117078892) has the molecular formula C18H16N8 and a molecular weight of 344.38 g/mol. Its IUPAC name is 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID117078892
Molecular FormulaC18H16N8
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC Name6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESc1ccc(-n2cnc3c(NC4CC4)nc(Nc4ncccn4)nc32)cc1
InChIInChI=1S/C18H16N8/c1-2-5-13(6-3-1)26-11-21-14-15(22-12-7-8-12)23-18(24-16(14)26)25-17-19-9-4-10-20-17/h1-6,9-12H,7-8H2,(H2,19,20,22,23,24,25)
InChIKeyRGPFBGNFHWXWHI-UHFFFAOYSA-N
XLogP2.92
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117080182
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoic acid
CID 10044232
2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
CID 117079494
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(1-benzylpiperidin-4-yl)-9-phenylpurine-2,6-diamine
CID 117089965
(3R,4S,5R)-2-[2-anilino-6-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874233
6-N-(1-benzylpiperidin-4-yl)-9-thiophen-3-yl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117083348
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine
CID 10251808
4-[2-[[2-[(1-benzylpiperidin-4-yl)amino]-9-phenylpurin-6-yl]amino]ethyl]phenol
CID 117089202

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine (CID 117078892) is 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine is c1ccc(-n2cnc3c(NC4CC4)nc(Nc4ncccn4)nc32)cc1.
What is the InChIKey of 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is RGPFBGNFHWXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8/c1-2-5-13(6-3-1)26-11-21-14-15(22-12-7-8-12)23-18(24-16(14)26)25-17-19-9-4-10-20-17/h1-6,9-12H,7-8H2,(H2,19,20,22,23,24,25).
What are the key properties of 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 344.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117078892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).